ChemSpider 2D Image | N-(1,1-Dioxido-4-sulfanyltetrahydro-3-thiophenyl)propanamide | C7H13NO3S2

N-(1,1-Dioxido-4-sulfanyltetrahydro-3-thiophenyl)propanamide

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID35514023

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-(1,1-Dioxido-4-sulfanyltetrahydro-3-thiophenyl)propanamid [German] [ACD/IUPAC Name]
N-(1,1-Dioxido-4-sulfanyltetrahydro-3-thiophenyl)propanamide [ACD/IUPAC Name]
N-(1,1-Dioxydo-4-sulfanyltétrahydro-3-thiophényl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(tetrahydro-4-mercapto-1,1-dioxido-3-thienyl)- [ACD/Index Name]
1934472-06-6 [RN]
MFCD28398556
N-(1,1-dioxo-4-sulfanylthiolan-3-yl)propanamide
N-(4-mercapto-1,1-dioxidotetrahydro-3-thienyl)propanamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 539.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.7±3.0 kJ/mol
    Flash Point: 280.1±30.1 °C
    Index of Refraction: 1.548
    Molar Refractivity: 52.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.98
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.27
    ACD/LogD (pH 7.4): -0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.48
    Polar Surface Area: 110 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 50.2±5.0 dyne/cm
    Molar Volume: 166.3±5.0 cm3

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